N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide

C17H21ClFN3O3 — CID 40952888

IUPACN-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C17H21ClFN3O3/c18-12-3-4-14(13(19)10-12)20-16(23)11-21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h3-4,10,15H,1-2,5-9,11H2,(H,20,23)/t15-/m1/s1
InChIKeyWSUYBJBCDZVCPV-OAHLLOKOSA-N
MW369.82 g/mol
LogP1.74
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide

N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide (PubChem CID 40952888) has the molecular formula C17H21ClFN3O3 and a molecular weight of 369.82 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
PubChem CID40952888
Molecular FormulaC17H21ClFN3O3
Molecular Weight369.82 g/mol
Exact Mass369.13
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C17H21ClFN3O3/c18-12-3-4-14(13(19)10-12)20-16(23)11-21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h3-4,10,15H,1-2,5-9,11H2,(H,20,23)/t15-/m1/s1
InChIKeyWSUYBJBCDZVCPV-OAHLLOKOSA-N
XLogP1.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22197271
N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464827
N-(4-bromophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464785
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 166005001
N-(3-acetylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197270
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191
[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 51169379
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-chloro-2-fluorophenyl)acetamide
CID 9131120
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide
CID 114394862
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 24594059
N-(3-chloro-4-fluorophenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carbothioamide
CID 2030671
ethyl 4-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzoate
CID 6467490

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide (CID 40952888) is N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide?
The InChIKey is WSUYBJBCDZVCPV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21ClFN3O3/c18-12-3-4-14(13(19)10-12)20-16(23)11-21-5-7-22(8-6-21)17(24)15-2-1-9-25-15/h3-4,10,15H,1-2,5-9,11H2,(H,20,23)/t15-/m1/s1.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 369.82 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 40952888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).